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Ab Initio Study of the Energetics, Electronic Properties, and Chlorine Migration Behavior of B2-FeAl (110) Surface by Microalloying
Published 2024-12-01Subjects: “…first-principles…”
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82
Flat-band based high-temperature ferromagnetic semiconducting state in the graphitic C4N3 monolayer
Published 2025-01-01Subjects: Get full text
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83
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84
HERAKLEİTOS: KOSMOS'TAN İNSAN'A
Published 2002-07-01“…While the first principle is fire, the law is logos... Cosmos can be known by logos. …”
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85
ТHE BEGINNING OF THE WORLD ACCORDING TO HESIODS AS THE BIRTH OF PHILOSOPHICAL ONTOLOGY
Published 2024-12-01“…The task of the study is to describe a general approach to understanding Chaos in Hesiod’s poem as an ontological essential first principle, which serves as a prototype of the philosophical ontology of later philosophers. …”
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86
A necessidade da compreensão da autoridade moral no pensamento de John Finnis
Published 2016-01-01“…The research is targeted at finding the rule of law spectrum finnisiano thought from three fundamental premises: 1) the meaning of the natural law; 2) The first principle of practical reason; and 3) develop the correct location of so-called basic human goods. …”
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87
L’outil numérique au service de l’intelligence collective des territoires
Published 2015-12-01“…Today, digital knowledge shared by policy makers, users (open data, data visualization) is a first principle in the process of conception and production living spaces. …”
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88
Pure Sociology: Subjectivity at Risk?
Published 2025-01-01“…Some argue that psychology is vital to doing sociology (as an accepted or foundational “first principle”), while others reject it because it falls outside the scope of sociological concerns. …”
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89
Hard-Wired Dopant Networks and the Prediction of High Transition Temperatures in Ceramic Superconductors
Published 2010-01-01“…The prediction of transition temperatures can be regarded in several ways, either as an exacting test of theory, or as a tool for identifying theoretical rules for defining new homology models. Popular “first principle” methods for predicting transition temperatures in conventional crystalline superconductors have failed for cuprate HTSC, as have parameterized models based on CuO2 planes (with or without apical oxygen). …”
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90
An ecological psychology perspective in teaching Chinese online
Published 2023-06-01“…In this paper, we first introduce three ecological principles for designing Chinese language online teaching and learning activities drawing from ecological psychology. The first principle – perception and action cycles in an ecosystem, advocates for situating online learning in a physical environment and creates activities with potentials to engage perception-action cycles. …”
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91
Phase relationships in the Al-rich region of the Al-Y-Zr system
Published 2017-01-01“…In the meantime, first principle calculations are used to provide theoretical guidance to understand the experimental results.…”
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92
Adsorption of Water Molecule in Graphene/MoS2 Heterostructure with Vacancy Defects in Mo Sites
Published 2022-01-01“…First-principle calculations based on the spin-polarized density functional theory (DFT) with vdW corrections by DFT-D2 approach have been carried out to study structural, electronic, and magnetic properties of water-adsorbed graphene/MoS2 heterostructures (system-I), and water-adsorbed graphene/MoS2 heterostructures with vacancy defects in Mo sites (systems-II). …”
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93
Towards Reduced-Order Models of Solid Oxide Fuel Cell
Published 2018-01-01“…At first, the full-order discrete-time model is found from the continuous-time first-principle description. Next, the discrete-time submodels of hydrogen, oxygen, and water pressures (intermediate variables) are reduced. …”
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94
Zinc-Blende GeC Stabilized on GaN (001): An Ab Initio Study
Published 2022-01-01“…First-principle calculations have been performed to explore the initial stages of the zinc blende-like germanium carbide epitaxial growth on the gallium nitride (001)-(2 × 2) surface. …”
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95
Same-sex marriage: a defense based on foundations of natural law
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96
The Magnetic Memory Effect of Ferromagnetic Materials in the Process of Stress-Magnetism Coupling
Published 2017-01-01“…Force-magnetism coupling process of Fe-C crystal system is simulated by CASTEP software which is based on first principle. Electron band structure, electron density of states, and atomic magnetic moment in the process of force-magnetism coupling process are calculated. …”
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97
Fast plasma production by intense femtosecond extreme ultraviolet and x-ray pulses
Published 2025-01-01“…We model such an excitation process starting from the optical properties of the analyzed materials and first-principle considerations, with the aim of motivating further studies in this scheme. …”
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98
Structural, Electronic, Lattice Dynamic, and Elastic Properties of SnTiO3 and PbTiO3 Using Density Functional Theory
Published 2019-01-01“…The structural, electronic, and elastic properties of tetragonal phase of SnTiO3 and PbTiO3 are investigated using first principle calculations. The unknown exchange-correlation functional is approximated with generalized gradient approximation (GGA) as implemented in pseudopotential plane wave approach. …”
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99
A Guide to Light-Cone PDFs from Lattice QCD: An Overview of Approaches, Techniques, and Results
Published 2019-01-01“…However, the complexity of the strong interactions has placed severe limitations, and first-principle information on these distributions was extracted mostly from their moments computed in Lattice QCD. …”
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100
4D-TExS: A new 4D lattice-QCD equation of state with extended density coverage
Published 2025-01-01“…Although calculations of QCD thermodynamics from first-principle lattice simulations are limited to zero net-density due to the fermion sign problem, several methods have been developed to extend the equation of state (EoS) to finite values of the B, Q, S chemical potentials. …”
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